ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe1 :e__0001: OVERALL ENERGY PARAMETER IS 0.5729 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.2630 APW+lo :E1_0001: E( 1)= 0.4410 APW+lo :E1_0001: E( 1)= -3.1580 E(BOTTOM)= -3.219 E(TOP)= -3.097 LOCAL ORBITAL :E2_0001: E( 2)= 0.6310 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Si2 :e__0002: OVERALL ENERGY PARAMETER IS 0.5729 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.1500 APW+lo :E1_0002: E( 1)= 0.4640 APW+lo :E2_0002: E( 2)= 0.5850 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 599LOs: 84 RKM= 7.40 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.1556731 -3.1556731 -3.1556731 -3.1516560 -3.1427999 :EIG00006: -3.1427999 -3.1427999 -3.1391165 -3.1391165 -3.1377451 :EIG00011: -3.1377451 -3.1377451 -0.1816740 0.2045824 0.2045824 :EIG00016: 0.2045824 0.4034121 0.4034121 0.4034121 0.5110469 :EIG00021: 0.5110469 0.5110469 0.5391812 0.5584944 0.5584944 :EIG00026: 0.5749858 0.5749858 0.5749858 0.6184339 0.6184339 :EIG00031: 0.6184339 0.7231066 0.7231066 0.7231066 0.7331543 :EIG00036: 0.7331543 0.7881595 0.7881595 0.7881595 0.9749441 :EIG00041: 0.9749441 0.9749441 1.0163645 1.0163645 1.0606254 :EIG00046: 1.0606254 1.0606254 1.1733963 1.2534860 1.2534860 :EIG00051: 1.2534860 1.3936013 1.3936013 1.3936013 1.4908313 :EIG00056: 1.5382620 1.5427937 1.5427937 1.5427937 1.8746135 :EIG00061: 1.8746135 2.0496388 2.0496388 2.0496388 2.1081997 :EIG00066: 2.1494612 2.1494612 2.2017649 2.2017649 2.2017649 :EIG00071: 2.3173092 2.3173092 2.3173092 2.4747172 2.4747172 :EIG00076: 2.4747172 2.5104683 2.5104683 2.5434737 2.5434737 :EIG00081: 2.5434737 2.7228867 2.7228867 2.7228867 2.7760467 :EIG00086: 2.8890371 2.8890371 2.8890371 2.9036619 2.9312359 :EIG00091: 2.9312359 2.9312359 ******************************************************** :KPT : NUMBER OF K-POINTS: 584